# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.89148604
_cell_length_b   11.21420606
_cell_length_c   45.71325063
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.01254815
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al96 Ni160'
_cell_volume   6504.99768544
_cell_formula_units_Z   32
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.091954  0.796619  0.332865  1
  Al  Al2  1  0.591954  0.296619  0.332865  1
  Al  Al3  1  0.995832  0.243696  0.278679  1
  Al  Al4  1  0.495832  0.743696  0.278679  1
  Al  Al5  1  0.089368  0.051853  0.331194  1
  Al  Al6  1  0.589368  0.551853  0.331194  1
  Al  Al7  1  0.798170  0.902973  0.300730  1
  Al  Al8  1  0.298170  0.402973  0.300730  1
  Al  Al9  1  0.795587  0.638823  0.302841  1
  Al  Al10  1  0.295587  0.138823  0.302841  1
  Al  Al11  1  0.794845  0.159232  0.301589  1
  Al  Al12  1  0.294845  0.659232  0.301589  1
  Al  Al13  1  0.193232  0.100724  0.386301  1
  Al  Al14  1  0.693232  0.600724  0.386301  1
  Al  Al15  1  0.096153  0.545302  0.334385  1
  Al  Al16  1  0.596153  0.045302  0.334385  1
  Al  Al17  1  0.191510  0.352409  0.384780  1
  Al  Al18  1  0.691510  0.852409  0.384780  1
  Al  Al19  1  0.890999  0.200694  0.359891  1
  Al  Al20  1  0.390999  0.700694  0.359891  1
  Al  Al21  1  0.893769  0.942427  0.359887  1
  Al  Al22  1  0.393769  0.442427  0.359887  1
  Al  Al23  1  0.890337  0.453679  0.358302  1
  Al  Al24  1  0.390337  0.953679  0.358302  1
  Al  Al25  1  0.292497  0.397932  0.442996  1
  Al  Al26  1  0.792497  0.897932  0.442996  1
  Al  Al27  1  0.194488  0.845505  0.387737  1
  Al  Al28  1  0.694488  0.345505  0.387737  1
  Al  Al29  1  0.290932  0.651544  0.442021  1
  Al  Al30  1  0.790932  0.151544  0.442021  1
  Al  Al31  1  0.991659  0.498468  0.415599  1
  Al  Al32  1  0.491659  0.998468  0.415599  1
  Al  Al33  1  0.993725  0.243917  0.416230  1
  Al  Al34  1  0.493725  0.743917  0.416230  1
  Al  Al35  1  0.991024  0.753003  0.414396  1
  Al  Al36  1  0.491024  0.253003  0.414396  1
  Al  Al37  1  0.393820  0.698498  0.498589  1
  Al  Al38  1  0.893820  0.198498  0.498589  1
  Al  Al39  1  0.294745  0.145560  0.443981  1
  Al  Al40  1  0.794745  0.645560  0.443981  1
  Al  Al41  1  0.391902  0.952521  0.497619  1
  Al  Al42  1  0.891902  0.452521  0.497619  1
  Al  Al43  1  0.094519  0.799976  0.470606  1
  Al  Al44  1  0.594519  0.299976  0.470606  1
  Al  Al45  1  0.095233  0.544664  0.471396  1
  Al  Al46  1  0.595233  0.044664  0.471396  1
  Al  Al47  1  0.092170  0.053533  0.469688  1
  Al  Al48  1  0.592170  0.553533  0.469688  1
  Al  Al49  1  0.494743  0.998913  0.554313  1
  Al  Al50  1  0.994743  0.498913  0.554313  1
  Al  Al51  1  0.395743  0.445549  0.499738  1
  Al  Al52  1  0.895743  0.945549  0.499738  1
  Al  Al53  1  0.492806  0.252369  0.553515  1
  Al  Al54  1  0.992806  0.752369  0.553515  1
  Al  Al55  1  0.193432  0.099207  0.527133  1
  Al  Al56  1  0.693432  0.599207  0.527133  1
  Al  Al57  1  0.195404  0.844487  0.527862  1
  Al  Al58  1  0.695404  0.344487  0.527862  1
  Al  Al59  1  0.192307  0.353539  0.526149  1
  Al  Al60  1  0.692307  0.853539  0.526149  1
  Al  Al61  1  0.592881  0.296282  0.611124  1
  Al  Al62  1  0.092881  0.796282  0.611124  1
  Al  Al63  1  0.496650  0.746458  0.555428  1
  Al  Al64  1  0.996650  0.246458  0.555428  1
  Al  Al65  1  0.592762  0.552677  0.609902  1
  Al  Al66  1  0.092762  0.052677  0.609902  1
  Al  Al67  1  0.296338  0.401375  0.582248  1
  Al  Al68  1  0.796338  0.901375  0.582248  1
  Al  Al69  1  0.296910  0.145486  0.582786  1
  Al  Al70  1  0.796910  0.645486  0.582786  1
  Al  Al71  1  0.293836  0.654053  0.581227  1
  Al  Al72  1  0.793836  0.154053  0.581227  1
  Al  Al73  1  0.695937  0.598149  0.663981  1
  Al  Al74  1  0.195937  0.098149  0.663981  1
  Al  Al75  1  0.596171  0.045453  0.612866  1
  Al  Al76  1  0.096171  0.545453  0.612866  1
  Al  Al77  1  0.693992  0.851605  0.663645  1
  Al  Al78  1  0.193992  0.351605  0.663645  1
  Al  Al79  1  0.396813  0.703027  0.638586  1
  Al  Al80  1  0.896813  0.203027  0.638586  1
  Al  Al81  1  0.397421  0.445612  0.638799  1
  Al  Al82  1  0.897421  0.945612  0.638799  1
  Al  Al83  1  0.394526  0.954780  0.637974  1
  Al  Al84  1  0.894526  0.454780  0.637974  1
  Al  Al85  1  0.812293  0.906688  0.720147  1
  Al  Al86  1  0.312293  0.406688  0.720147  1
  Al  Al87  1  0.696967  0.347725  0.664774  1
  Al  Al88  1  0.196967  0.847725  0.664774  1
  Al  Al89  1  0.793564  0.148209  0.719401  1
  Al  Al90  1  0.293564  0.648209  0.719401  1
  Al  Al91  1  0.500528  1.003056  0.696959  1
  Al  Al92  1  1.000528  0.503056  0.696959  1
  Al  Al93  1  0.494043  0.738336  0.696709  1
  Al  Al94  1  0.994043  0.238336  0.696709  1
  Al  Al95  1  0.493209  0.258222  0.695321  1
  Al  Al96  1  0.993209  0.758222  0.695321  1
  Ni  Ni97  1  0.788257  0.396894  0.304278  1
  Ni  Ni98  1  0.288257  0.896894  0.304278  1
  Ni  Ni99  1  0.630910  0.439992  0.290722  1
  Ni  Ni100  1  0.130910  0.939992  0.290722  1
  Ni  Ni101  1  0.641083  0.951224  0.291633  1
  Ni  Ni102  1  0.141083  0.451224  0.291633  1
  Ni  Ni103  1  0.632776  0.190888  0.291507  1
  Ni  Ni104  1  0.132776  0.690888  0.291507  1
  Ni  Ni105  1  0.948569  0.597143  0.316365  1
  Ni  Ni106  1  0.448569  0.097143  0.316365  1
  Ni  Ni107  1  0.984872  0.009327  0.278942  1
  Ni  Ni108  1  0.484872  0.509327  0.278942  1
  Ni  Ni109  1  0.945391  0.353799  0.318052  1
  Ni  Ni110  1  0.445391  0.853799  0.318052  1
  Ni  Ni111  1  0.943667  0.844345  0.317514  1
  Ni  Ni112  1  0.443667  0.344345  0.317514  1
  Ni  Ni113  1  0.939703  0.101750  0.320523  1
  Ni  Ni114  1  0.439703  0.601750  0.320523  1
  Ni  Ni115  1  0.647042  0.700023  0.291072  1
  Ni  Ni116  1  0.147042  0.200023  0.291072  1
  Ni  Ni117  1  0.892924  0.696970  0.358837  1
  Ni  Ni118  1  0.392924  0.196970  0.358837  1
  Ni  Ni119  1  0.744784  0.748843  0.343295  1
  Ni  Ni120  1  0.244784  0.248843  0.343295  1
  Ni  Ni121  1  0.743621  0.249252  0.345297  1
  Ni  Ni122  1  0.243621  0.749252  0.345297  1
  Ni  Ni123  1  0.739084  0.498146  0.345631  1
  Ni  Ni124  1  0.239084  0.998146  0.345631  1
  Ni  Ni125  1  0.044602  0.899884  0.373280  1
  Ni  Ni126  1  0.544602  0.399884  0.373280  1
  Ni  Ni127  1  0.093078  0.300338  0.332368  1
  Ni  Ni128  1  0.593078  0.800338  0.332368  1
  Ni  Ni129  1  0.042132  0.647872  0.374313  1
  Ni  Ni130  1  0.542132  0.147872  0.374313  1
  Ni  Ni131  1  0.040477  0.147993  0.373363  1
  Ni  Ni132  1  0.540477  0.647993  0.373363  1
  Ni  Ni133  1  0.038478  0.396696  0.374577  1
  Ni  Ni134  1  0.538478  0.896696  0.374577  1
  Ni  Ni135  1  0.749153  1.001100  0.343266  1
  Ni  Ni136  1  0.249153  0.501100  0.343266  1
  Ni  Ni137  1  0.992403  0.998468  0.415140  1
  Ni  Ni138  1  0.492403  0.498468  0.415140  1
  Ni  Ni139  1  0.842389  0.046992  0.401055  1
  Ni  Ni140  1  0.342389  0.546992  0.401055  1
  Ni  Ni141  1  0.842315  0.549506  0.401057  1
  Ni  Ni142  1  0.342315  0.049506  0.401057  1
  Ni  Ni143  1  0.840316  0.797425  0.401317  1
  Ni  Ni144  1  0.340316  0.297425  0.401317  1
  Ni  Ni145  1  0.145831  0.200265  0.427932  1
  Ni  Ni146  1  0.645831  0.700265  0.427932  1
  Ni  Ni147  1  0.194043  0.598080  0.386449  1
  Ni  Ni148  1  0.694043  0.098080  0.386449  1
  Ni  Ni149  1  0.143498  0.950311  0.428556  1
  Ni  Ni150  1  0.643498  0.450311  0.428556  1
  Ni  Ni151  1  0.143202  0.448009  0.428236  1
  Ni  Ni152  1  0.643202  0.948009  0.428236  1
  Ni  Ni153  1  0.141046  0.697677  0.428958  1
  Ni  Ni154  1  0.641046  0.197677  0.428958  1
  Ni  Ni155  1  0.844331  0.300592  0.401076  1
  Ni  Ni156  1  0.344331  0.800592  0.401076  1
  Ni  Ni157  1  0.093635  0.298700  0.470367  1
  Ni  Ni158  1  0.593635  0.798700  0.470367  1
  Ni  Ni159  1  0.942539  0.347976  0.456966  1
  Ni  Ni160  1  0.442539  0.847976  0.456966  1
  Ni  Ni161  1  0.943457  0.849358  0.457045  1
  Ni  Ni162  1  0.443457  0.349358  0.457045  1
  Ni  Ni163  1  0.940249  0.096684  0.457301  1
  Ni  Ni164  1  0.440249  0.596684  0.457301  1
  Ni  Ni165  1  0.245613  0.499493  0.484619  1
  Ni  Ni166  1  0.745613  0.999493  0.484619  1
  Ni  Ni167  1  0.292704  0.899569  0.443187  1
  Ni  Ni168  1  0.792704  0.399569  0.443187  1
  Ni  Ni169  1  0.243368  0.249122  0.485142  1
  Ni  Ni170  1  0.743368  0.749122  0.485142  1
  Ni  Ni171  1  0.243258  0.748157  0.484958  1
  Ni  Ni172  1  0.743258  0.248157  0.484958  1
  Ni  Ni173  1  0.241065  0.998676  0.485511  1
  Ni  Ni174  1  0.741065  0.498676  0.485511  1
  Ni  Ni175  1  0.945880  0.601153  0.456781  1
  Ni  Ni176  1  0.445880  0.101153  0.456781  1
  Ni  Ni177  1  0.193342  0.598236  0.527020  1
  Ni  Ni178  1  0.693342  0.098236  0.527020  1
  Ni  Ni179  1  0.044058  0.648934  0.512381  1
  Ni  Ni180  1  0.544058  0.148934  0.512381  1
  Ni  Ni181  1  0.044392  0.149770  0.512578  1
  Ni  Ni182  1  0.544392  0.649770  0.512578  1
  Ni  Ni183  1  0.041573  0.397629  0.512697  1
  Ni  Ni184  1  0.541573  0.897629  0.512697  1
  Ni  Ni185  1  0.347187  0.800014  0.539773  1
  Ni  Ni186  1  0.847187  0.300014  0.539773  1
  Ni  Ni187  1  0.394048  0.199878  0.498791  1
  Ni  Ni188  1  0.894048  0.699878  0.498791  1
  Ni  Ni189  1  0.345017  0.550102  0.540463  1
  Ni  Ni190  1  0.845017  0.050102  0.540463  1
  Ni  Ni191  1  0.344445  0.048958  0.540193  1
  Ni  Ni192  1  0.844445  0.548958  0.540193  1
  Ni  Ni193  1  0.342246  0.298660  0.540880  1
  Ni  Ni194  1  0.842246  0.798660  0.540880  1
  Ni  Ni195  1  0.046873  0.900598  0.512269  1
  Ni  Ni196  1  0.546873  0.400598  0.512269  1
  Ni  Ni197  1  0.295337  0.898144  0.581607  1
  Ni  Ni198  1  0.795337  0.398144  0.581607  1
  Ni  Ni199  1  0.143870  0.947738  0.569024  1
  Ni  Ni200  1  0.643870  0.447738  0.569024  1
  Ni  Ni201  1  0.144227  0.449824  0.569377  1
  Ni  Ni202  1  0.644227  0.949824  0.569377  1
  Ni  Ni203  1  0.141105  0.696679  0.569505  1
  Ni  Ni204  1  0.641105  0.196679  0.569505  1
  Ni  Ni205  1  0.446756  0.098290  0.595905  1
  Ni  Ni206  1  0.946756  0.598290  0.595905  1
  Ni  Ni207  1  0.495176  0.500165  0.554655  1
  Ni  Ni208  1  0.995176  1.000165  0.554655  1
  Ni  Ni209  1  0.445483  0.850840  0.596497  1
  Ni  Ni210  1  0.945483  0.350840  0.596497  1
  Ni  Ni211  1  0.445062  0.348433  0.596345  1
  Ni  Ni212  1  0.945062  0.848433  0.596345  1
  Ni  Ni213  1  0.443568  0.600634  0.596876  1
  Ni  Ni214  1  0.943568  0.100634  0.596876  1
  Ni  Ni215  1  0.147017  0.201821  0.568828  1
  Ni  Ni216  1  0.647017  0.701821  0.568828  1
  Ni  Ni217  1  0.394824  0.195473  0.638111  1
  Ni  Ni218  1  0.894824  0.695473  0.638111  1
  Ni  Ni219  1  0.246690  0.249751  0.623212  1
  Ni  Ni220  1  0.746690  0.749751  0.623212  1
  Ni  Ni221  1  0.246853  0.750339  0.623690  1
  Ni  Ni222  1  0.746853  0.250339  0.623690  1
  Ni  Ni223  1  0.243236  0.996615  0.623060  1
  Ni  Ni224  1  0.743236  0.496615  0.623060  1
  Ni  Ni225  1  0.545235  0.397966  0.652136  1
  Ni  Ni226  1  0.045235  0.897966  0.652136  1
  Ni  Ni227  1  0.594869  0.801147  0.611552  1
  Ni  Ni228  1  0.094869  0.301147  0.611552  1
  Ni  Ni229  1  0.543964  0.149477  0.654113  1
  Ni  Ni230  1  0.043964  0.649477  0.654113  1
  Ni  Ni231  1  0.543542  0.648211  0.652883  1
  Ni  Ni232  1  0.043542  0.148211  0.652883  1
  Ni  Ni233  1  0.541944  0.898783  0.654805  1
  Ni  Ni234  1  0.041944  0.398783  0.654805  1
  Ni  Ni235  1  0.249911  0.503893  0.623671  1
  Ni  Ni236  1  0.749911  1.003893  0.623671  1
  Ni  Ni237  1  0.494017  0.496622  0.694311  1
  Ni  Ni238  1  0.994017  0.996622  0.694311  1
  Ni  Ni239  1  0.343979  0.548361  0.678118  1
  Ni  Ni240  1  0.843979  0.048361  0.678118  1
  Ni  Ni241  1  0.345266  0.049368  0.681271  1
  Ni  Ni242  1  0.845266  0.549368  0.681271  1
  Ni  Ni243  1  0.341618  0.294056  0.678716  1
  Ni  Ni244  1  0.841618  0.794056  0.678716  1
  Ni  Ni245  1  0.655332  0.701882  0.705951  1
  Ni  Ni246  1  0.155332  0.201882  0.705951  1
  Ni  Ni247  1  0.696389  0.101518  0.665964  1
  Ni  Ni248  1  0.196389  0.601518  0.665964  1
  Ni  Ni249  1  0.656821  0.458069  0.706345  1
  Ni  Ni250  1  0.156821  0.958069  0.706345  1
  Ni  Ni251  1  0.650731  0.943545  0.706368  1
  Ni  Ni252  1  0.150731  0.443545  0.706368  1
  Ni  Ni253  1  0.652270  0.211688  0.706665  1
  Ni  Ni254  1  0.152270  0.711688  0.706665  1
  Ni  Ni255  1  0.347861  0.804912  0.679986  1
  Ni  Ni256  1  0.847861  0.304912  0.679986  1
